Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
Basic information
- CAS
84006-69-9- Standard SMILES
CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
MTZNTUPAMSZQGK-UHFFFAOYSA-N- Molecular formula
- C25H40O7
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.27740361
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
- IUPAC
- 3-undecanoyloxybutan-2-yl 3,4,5-trimethoxybenzoate
Names & synonyms
84006-69-9Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxoundecyl)oxy)propyl esterRefChem:10790041-Methyl-2-((1-oxoundecyl)oxy)propyl 3,4,5-trimethoxybenzoateDTXSID3010042843-(Undecanoyloxy)butan-2-yl 3,4,5-trimethoxybenzoate
Database identifiers
- CAS
84006-69-9- PubChem CID
- 3068950
- DTXSID
DTXSID301004284
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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